| SpectraBase Compound ID | Cq9pdHEqd9L |
|---|---|
| InChI | InChI=1S/C12H15NO3/c14-11(8-4-5-9-12(15)16)13-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)(H,15,16) |
| InChIKey | GJDYPQDCMXGZAT-UHFFFAOYSA-N |
| Mol Weight | 221.26 g/mol |
| Molecular Formula | C12H15NO3 |
| Exact Mass | 221.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1spy8chllOM |
|---|---|
| Name | Adipanilic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.105193344 u |
| Formula | C12H15NO3 |
| InChI | InChI=1S/C12H15NO3/c14-11(8-4-5-9-12(15)16)13-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)(H,15,16) |
| InChIKey | GJDYPQDCMXGZAT-UHFFFAOYSA-N |
| Molecular Weight | 221.256 g/mol |
| SMILES | N(C1=CC=CC=C1)C(CCCCC(O)=O)=O |